| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:34 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207078 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O3 |
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| Molecular Mass | 222.1004 |
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| SMILES | O=C(O)C1=CN(C(=O)C2CCCN2)C=CC1 |
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| InChI Key | KFPXRHWJDHADHF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdihydropyridineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidinecarboxamidestertiary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidetertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydropyridinepyrrolidineorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compoundamine |
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